5-methyl-N-(oxolan-2-ylmethyl)-1-phenyl-N-pyridazin-4-yl-1,2,4-triazole-3-carboxamide

C19H20N6O2 — CID 166252472

IUPAC5-methyl-N-(oxolan-2-ylmethyl)-1-phenyl-N-pyridazin-4-yl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N(CC2CCCO2)c2ccnnc2)nn1-c1ccccc1
InChIInChI=1S/C19H20N6O2/c1-14-22-18(23-25(14)15-6-3-2-4-7-15)19(26)24(13-17-8-5-11-27-17)16-9-10-20-21-12-16/h2-4,6-7,9-10,12,17H,5,8,11,13H2,1H3
InChIKeyUSMKBIBYBOKPEB-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.19
Rot. Bonds5

About 5-methyl-N-(oxolan-2-ylmethyl)-1-phenyl-N-pyridazin-4-yl-1,2,4-triazole-3-carboxamide

5-methyl-N-(oxolan-2-ylmethyl)-1-phenyl-N-pyridazin-4-yl-1,2,4-triazole-3-carboxamide (PubChem CID 166252472) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-methyl-N-(oxolan-2-ylmethyl)-1-phenyl-N-pyridazin-4-yl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(oxolan-2-ylmethyl)-1-phenyl-N-pyridazin-4-yl-1,2,4-triazole-3-carboxamide
PubChem CID166252472
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name5-methyl-N-(oxolan-2-ylmethyl)-1-phenyl-N-pyridazin-4-yl-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N(CC2CCCO2)c2ccnnc2)nn1-c1ccccc1
InChIInChI=1S/C19H20N6O2/c1-14-22-18(23-25(14)15-6-3-2-4-7-15)19(26)24(13-17-8-5-11-27-17)16-9-10-20-21-12-16/h2-4,6-7,9-10,12,17H,5,8,11,13H2,1H3
InChIKeyUSMKBIBYBOKPEB-UHFFFAOYSA-N
XLogP2.19
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-1-(4-fluorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazole-3-carboxamide
CID 94489794
5-chloro-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylfuran-2-carboxamide
CID 126829951
N-(oxolan-2-ylmethyl)-5-propan-2-yl-N-pyridazin-4-ylpyridine-2-carboxamide
CID 167761276
trans-(1R,2R)-2-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylcyclopropane-1-carboxamide
CID 154843714
2-(2,5-dichlorophenyl)-N-(oxolan-2-ylmethyl)-N-pyridazin-4-ylacetamide
CID 167810660
3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 1139457
3-methyl-N-(oxolan-2-ylmethyl)-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 3173530
N-[[(2S)-oxolan-2-yl]methyl]-N-pyridin-4-ylquinoxaline-2-carboxamide
CID 129370507
5-fluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 96547592
3-methyl-N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-1,2-oxazole-5-carboxamide
CID 136525666
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 1172713
N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylindolizine-2-carboxamide
CID 95777230

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(oxolan-2-ylmethyl)-1-phenyl-N-pyridazin-4-yl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(oxolan-2-ylmethyl)-1-phenyl-N-pyridazin-4-yl-1,2,4-triazole-3-carboxamide (CID 166252472) is 5-methyl-N-(oxolan-2-ylmethyl)-1-phenyl-N-pyridazin-4-yl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(oxolan-2-ylmethyl)-1-phenyl-N-pyridazin-4-yl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(oxolan-2-ylmethyl)-1-phenyl-N-pyridazin-4-yl-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)N(CC2CCCO2)c2ccnnc2)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-N-(oxolan-2-ylmethyl)-1-phenyl-N-pyridazin-4-yl-1,2,4-triazole-3-carboxamide?
The InChIKey is USMKBIBYBOKPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-14-22-18(23-25(14)15-6-3-2-4-7-15)19(26)24(13-17-8-5-11-27-17)16-9-10-20-21-12-16/h2-4,6-7,9-10,12,17H,5,8,11,13H2,1H3.
What are the key properties of 5-methyl-N-(oxolan-2-ylmethyl)-1-phenyl-N-pyridazin-4-yl-1,2,4-triazole-3-carboxamide?
5-methyl-N-(oxolan-2-ylmethyl)-1-phenyl-N-pyridazin-4-yl-1,2,4-triazole-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(oxolan-2-ylmethyl)-1-phenyl-N-pyridazin-4-yl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 166252472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).